Information card for entry 7103133

Structure parameters

• Formula: C168 H186 N64.75 O104.5 Pd6
• Calculated formula: C168 H186 N64.75 O104.5 Pd6
• Title of publication: Three-metal-center spin interactions through the intercalation of metal azaporphines and porphines into an organic pillared coordination box.
• Authors of publication: Ono, Kosuke; Yoshizawa, Michito; Kato, Tatsuhisa; Fujita, Makoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 20
• Pages of publication: 2328 - 2330
• a: 20.025 ± 0.003 Å
• b: 26.094 ± 0.004 Å
• c: 26.215 ± 0.004 Å
• α: 107.593 ± 0.002°
• β: 102.779 ± 0.002°
• γ: 95.762 ± 0.002°
• Cell volume: 12526 ± 3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No